2,2,3,3,3-Pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
基本情報
- CAS
295344-53-5- 標準SMILES
CCCOc1ccc(C2NC(=O)NC(C)=C2C(=O)OCC(F)(F)C(F)(F)F)cc1- InChIKey
LUTSGRVECBVQAA-UHFFFAOYSA-N- 分子式
- C18H19F5N2O4
- 平均分子量
- 422.3 g/mol
- 単同位体質量
- 422.1264979
名称と識別子
- 優先名称
- 2,2,3,3,3-Pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
- IUPAC
- 2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylate
名称と別名
2,2,3,3,3-Pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate2,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydropyrimidine-5-carboxylate295344-53-5LUTSGRVECBVQAA-UHFFFAOYSA-NDTXSID401353400MFCD00334891STK370797AKOS000637763AKOS0220130052,2,3,3,3-pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-3,4-dihydro-1H-pyrimidine-5-carboxylateST101609ZINC000004064575
名称をさらに表示
ZINC000004064578AG-690/08506049CCCOC1=CC=C(C=C1)C2C(=C(NC(=O)N2)C)C(=O)OCC(C(F)(F)F)(F)F22333pentafluoropropyl6methyl2oxo4(4propoxyphenyl)1234tetrahydropyrimidine5carboxylate22333pentafluoropropyl6methyl2oxo4(4propoxyphenyl)34dihydro1Hpyrimidine5carboxylate2,2,3,3,3-PENTAFLUOROPROPYL 4-METHYL-2-OXO-6-(4-PROPOXYPHENYL)-3,6-DIHYDRO-1H-PYRIMIDINE-5-CARBOXYLATE2,2,3,3,3-Pentafluoropropyl 6-methyl-2-oxo-4-(4-propoxyphenyl)-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate #Pyrimidine 5-carboxylic acid, 1,2,3,4-tetrahydro-2-oxo-4-(4-propoxyphenyl)-6-methyl-, 2,2,3,3,3-pentafluoropropyl ester
データベース識別子
- CAS
295344-53-5- PubChem CID
- 625789
- DTXSID
DTXSID401353400
物性
構造計算による物性
- XLogP
- 3.7
- 極性表面積
- 76.7 Ų
- 水素結合供与体数
- 2
- 水素結合受容体数
- 9
- 回転可能結合数
- 8
- 重原子数
- 29
- 形式電荷
- 0
- 複雑度
- 643
関連反応
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